4-(5-bromanyl-2-methoxy-phenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: 1-benzyl-4-(5-bromo-2-methoxy-phenyl)pyrrolidine-3-carboxylate CAS Name: 4-(5-bromo-2-methoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylate IUPAC Name: 1-benzyl-4-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 1-benzyl-4-(5-bromo-2-methoxy-phenyl)pyrrolidine-3-carboxylate Formula: C19H19BrNO3- MolecularWeight: 389.26306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2CN(CC2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2CN(CC2C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO3/c1-24-18-8-7-14(20)9-15(18)16-11-21(12-17(16)19(22)23)10-13-5-3-2-4-6-13/h2-9,16-17H,10-12H2,1H3,(H,22,23)/p-1